4-(4-bromophenyl)-2-[(4-chlorophenyl)methylsulfanyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(4-bromophenyl)-2-[(4-chlorophenyl)methylsulfanyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-bromophenyl)-2-[(4-chlorophenyl)methylsulfanyl]-4-oxo-butanoic acid CAS Name: 4-(4-bromophenyl)-2-[(4-chlorophenyl)methylthio]-4-oxobutanoic acid IUPAC Name: 4-(4-bromophenyl)-2-[(4-chlorophenyl)methylsulfanyl]-4-oxobutanoic acid Traditional Name: 4-(4-bromophenyl)-2-[(4-chlorobenzyl)thio]-4-keto-butyric acid Formula: C17H14BrClO3S MolecularWeight: 413.71326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC(CC(=O)C2=CC=C(C=C2)Br)C(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1CSC(CC(=O)C2=CC=C(C=C2)Br)C(=O)O)Cl

InChI

InChI=1S/C17H14BrClO3S/c18-13-5-3-12(4-6-13)15(20)9-16(17(21)22)23-10-11-1-7-14(19)8-2-11/h1-8,16H,9-10H2,(H,21,22)